SCHEMBL499206

SCHEMBL499206

N[C@H](C(=O)O)C(CP(=O)(O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC1A2 P43004 2/20 0.44
LAP3 P28838 3/20 0.43
ANPEP P15144 2/20 0.43
ACP3 P15309 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
PTPRC P08575 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5291382 0.78 SLC6A2 (0.55) SRCMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL14842376 0.78 SLC6A2 (0.55) SRCMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL22190041 0.78 SLC6A2 (0.55) SRCMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL1162118 0.77 CYP2D6 (0.49) SRCMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL22338831 0.77 CYP2D6 (0.49) SRCMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL497730 0.77 CYP2C19 (0.72) SRCMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL497729 0.77 CYP2C19 (0.72) SRCMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL497439 0.77 CYP2D6 (0.49) SRCMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL11286460 0.76 SRC (0.54) SRCLAP3ANPEPACP3
SCHEMBL7653146 0.75 HRH1 (0.50) SRCMEN1CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102143961-B Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON INC 2014-11-05 CN claimed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US claimed
JP-2011526251-A 2011-10-06 JP claimed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US claimed
CN-102143961-A Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON INC 2011-08-03 CN claimed
EP-2310386-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2011-04-20 EP claimed
EP-1883451-B9 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2011-02-09 EP claimed
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP claimed
EP-2220075-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN Neuraxon, INC. (CA) 2010-08-25 EP claimed
EP-2220074-A1 3,5-SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY Neuraxon, INC. (CA) 2010-08-25 EP claimed
CN-101247853-A Substituted indole compounds having NOS inhibitory activity NEURAXON INC (CA) 2008-08-20 CN claimed
EP-1888568-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY Neuraxon Inc. (CA) 2008-02-20 EP claimed
EP-1883451-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2008-02-06 EP claimed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO claimed
WO-2007017764-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON, INC. (CA) 2007-02-15 WO claimed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US claimed
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2006-07-20 US claimed
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO claimed
WO-2004039371-A2 COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN PHARMACIA CORPORATION (US) 2004-05-13 WO claimed
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain PHARMACIA CORPORATION 2004-04-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 SRC 1407/4885MEN1 3810/4885CYP2D6 501/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 SRC 1407/4885MEN1 3810/4885CYP2D6 501/4885
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage CNR2, CNR1, PTGS2 SRC 1548/4885MEN1 4616/4885CYP2D6 1355/4885
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain GRIN2A, GRIN2B, GRIN3A SRC 2248/4885MEN1 4256/4885CYP2D6 2992/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.